Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: P02CC01
UNII: 4QIH0N49E7

Structure

InChI Key YSAUAVHXTIETRK-AATRIKPKSA-N
Smile CN1CCCN=C1/C=C/c1cccs1
InChI
InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14N2S
Molecular Weight 206.31
AlogP 2.5
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 15.6
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 8654
ChEMBL CHEMBL1626223
DrugBank DB11156
DrugCentral 2999
EPA CompTox DTXSID5023538
FDA SRS 4QIH0N49E7
KEGG C07409
PubChem 708857
SureChEMBL SCHEMBL164730
ZINC ZINC000000097996